5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine

C8H10BrN5S — CID 106196368

IUPAC5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(Nc1nnc(Br)s1)c1ncc[nH]1
InChIInChI=1S/C8H10BrN5S/c1-2-5(6-10-3-4-11-6)12-8-14-13-7(9)15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,14)
InChIKeyQYVUKGDGXVPUKM-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 106196368) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine
PubChem CID106196368
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(Nc1nnc(Br)s1)c1ncc[nH]1
InChIInChI=1S/C8H10BrN5S/c1-2-5(6-10-3-4-11-6)12-8-14-13-7(9)15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,14)
InChIKeyQYVUKGDGXVPUKM-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
CID 106997925
6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine
CID 106196327
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
4-bromo-5-[1-(1H-imidazol-2-yl)propylamino]-2-propan-2-ylpyridazin-3-one
CID 114443072
5-amino-4-[1-(1H-imidazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 137016684
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
N-[1-(1H-imidazol-2-yl)propyl]imidazo[1,2-a]pyridin-5-amine
CID 102625839
(2S)-5-amino-2-[1-(1H-imidazol-2-yl)propylcarbamoylamino]-5-oxopentanoic acid
CID 104871726
3-bromo-5-chloro-N-[1-(1H-imidazol-2-yl)propyl]benzamide
CID 105359452
4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106196358
2-butan-2-yl-1H-imidazole;ethane
CID 156722843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine (CID 106196368) is 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine is CCC(Nc1nnc(Br)s1)c1ncc[nH]1.
What is the InChIKey of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QYVUKGDGXVPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-2-5(6-10-3-4-11-6)12-8-14-13-7(9)15-8/h3-5H,2H2,1H3,(H,10,11)(H,12,14).
What are the key properties of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106196368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).